3-[2-(3-chlorophenoxy)ethyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea

C15H21ClN2O3 — CID 91662160

IUPAC3-[2-(3-chlorophenoxy)ethyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
SMILESCN(CC1CC(O)C1)C(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-18(10-11-7-13(19)8-11)15(20)17-5-6-21-14-4-2-3-12(16)9-14/h2-4,9,11,13,19H,5-8,10H2,1H3,(H,17,20)
InChIKeyNPGIUUXPCPVELE-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.13
Rot. Bonds6

About 3-[2-(3-chlorophenoxy)ethyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea

3-[2-(3-chlorophenoxy)ethyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea (PubChem CID 91662160) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-[2-(3-chlorophenoxy)ethyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[2-(3-chlorophenoxy)ethyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
PubChem CID91662160
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name3-[2-(3-chlorophenoxy)ethyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea
SMILESCN(CC1CC(O)C1)C(=O)NCCOc1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-18(10-11-7-13(19)8-11)15(20)17-5-6-21-14-4-2-3-12(16)9-14/h2-4,9,11,13,19H,5-8,10H2,1H3,(H,17,20)
InChIKeyNPGIUUXPCPVELE-UHFFFAOYSA-N
XLogP2.13
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66006623
3-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 119734978
cis-(1R,2S)-N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 94182100
N-[2-(3-chlorophenoxy)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110899228
4-amino-N-[2-(3-chlorophenoxy)ethyl]-3-methoxybutanamide
CID 120589375
N-[2-(3-chlorophenoxy)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 110896626
1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-[(1-methylpiperidin-2-yl)methyl]urea
CID 119071979
1-amino-N-[2-(3-chlorophenoxy)ethyl]cyclopropane-1-carboxamide
CID 119734966
2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride
CID 119295698
2-amino-N-[2-(3-chlorophenoxy)ethyl]acetamide;hydrochloride
CID 119295694

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenoxy)ethyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea?
The IUPAC name of 3-[2-(3-chlorophenoxy)ethyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea (CID 91662160) is 3-[2-(3-chlorophenoxy)ethyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[2-(3-chlorophenoxy)ethyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea?
The canonical SMILES for 3-[2-(3-chlorophenoxy)ethyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea is CN(CC1CC(O)C1)C(=O)NCCOc1cccc(Cl)c1.
What is the InChIKey of 3-[2-(3-chlorophenoxy)ethyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea?
The InChIKey is NPGIUUXPCPVELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-18(10-11-7-13(19)8-11)15(20)17-5-6-21-14-4-2-3-12(16)9-14/h2-4,9,11,13,19H,5-8,10H2,1H3,(H,17,20).
What are the key properties of 3-[2-(3-chlorophenoxy)ethyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea?
3-[2-(3-chlorophenoxy)ethyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea has a molecular weight of 312.80 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenoxy)ethyl]-1-[(3-hydroxycyclobutyl)methyl]-1-methylurea is sourced from PubChem (CID 91662160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).